7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid

C11H12N4O3S — CID 53212656

IUPAC7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C11H12N4O3S/c16-8-6-7(9(17)18)15-10(12-8)19-11(13-15)14-4-2-1-3-5-14/h6H,1-5H2,(H,17,18)
InChIKeyXSFGVDDOBYZJAA-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.84
Rot. Bonds2

About 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid

7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (PubChem CID 53212656) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
PubChem CID53212656
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C11H12N4O3S/c16-8-6-7(9(17)18)15-10(12-8)19-11(13-15)14-4-2-1-3-5-14/h6H,1-5H2,(H,17,18)
InChIKeyXSFGVDDOBYZJAA-UHFFFAOYSA-N
XLogP0.84
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (CID 53212656) is 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(=O)nc2sc(N3CCCCC3)nn12.
What is the InChIKey of 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The InChIKey is XSFGVDDOBYZJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c16-8-6-7(9(17)18)15-10(12-8)19-11(13-15)14-4-2-1-3-5-14/h6H,1-5H2,(H,17,18).
What are the key properties of 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53212656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).